General Information of the Compound
| Compound ID |
CP0918247
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| Compound Name |
{2-[2-(6-Methyl-pyridazin-3-ylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C20H20N8S
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| Molecular Weight |
404.503
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| Canonical SMILES |
Cc1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)nn1
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| InChI |
InChI=1S/C20H20N8S/c1-12-2-3-16(28-27-12)25-17-10-13(4-8-22-17)19-24-15-6-9-29-18(15)20(26-19)23-14-5-7-21-11-14/h2-4,6,8-10,14,21H,5,7,11H2,1H3,(H,22,25,28)(H,23,24,26)/t14-/m1/s1
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| InChIKey |
MTBRRGMJHBRKHJ-CQSZACIVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound